Ústav fyziky materiálů AV ČR, v. v. i. > Publikace


Gröger R.: Symmetry-adapted single crystal yield criterion for non-Schmid materials. Int. J. Plast. 146 (2021) 103101

Bajtošová L., Králík ., Křivská ., Veselý J., Fikar J., Cieslar M.: In-situ TEM deformation of free-standing thin films and molecular dynamics simulations. AIP Conference Proceedings 2411 (2021) 030002

Vacek P., Frentrup M., Lee L., Massabuau F., Kappers M., Wallis D., Gröger R., Oliver R.: Defect structures in (001) zincblende GaN/3C-SiC nucleation layers. J. Appl. Phys. 129 (2021) 155306

Pal-Val P., Vatazhuk O., Ostapovec A., Král L., Pinc J.: Thermoactivated Dislocation Motion in Rolled and Extruded Magnesium: Data of the Low-Temperature Acoustic Experiment . Metals 11 (2021) 1647

Kvashin N., Ostapovec A., Anento N., Serra A.: On the migration of {332}<110> tilt grain boundary in bcc metals and further nucleation of {112} twin. Comp. Mater. Sci. 196 (2021) 110509

Ostapovec A., K. K., Máthis K., Šiška F.: Interaction of Migrating Twin Boundaries with Obstacles in Magnesium. Metals 11 (2021) 154

Marshall A., Holzer J., Stejskal P., Stephens C., Vystavěl T., Whiting M.: The EBSD spatial resolution of a Timepix-based detector in a tilt-free geometry. Ultramicroscopy 226 (2021) 113294

Gröger R., Šremr J., Vydrová J.: Uniqueness and stability of activated dislocation shapes in crystals. Model. Simul. Mater. Sci. Eng. 29 (2021) 025006

Tinoco Navarro H., Hutař P., Kruml T., Holzer J.: Modeling of elastoplastic behavior of freestanding square thin films under bulge testing. Acta Mechanica 232 (2021) 2715-2731

Heczko M., Mazánová V., Gröger R., Záležák T., Hooshmand M., George E., Mills M., Dlouhý A.: Elemental segregation to lattice defects in the CrMnFeCoNi high-entropy alloy during high temperature exposures. Acta Mater. 208 (2021) 116719

Tinoco Navarro H., Holzer J., Pikálek T., Sobota J., Fořt T., Matějka M., Kruml T., Hutař P.: Determination of the yield stress in Al thin film by applying bulge test. Journal of Physics: Conference Series 1777 (2021) 012030

Holzer J., Chlup Z., Kruml T., Gröger R.: Plastic deformation of magnetically isotropic Cr single crystals compressed at 77 K. Int. J. Plast. 138 (2021) 102938


Gröger R., Vítek V.: Single crystal yield criterion for chromium based on atomistic studies of isolated 1/2[111] screw dislocations. Int. J. Plast. 132 (2020) 102733

Gröger R., Vítek V., Dlouhý A.: Effective pair potential for random fcc CoCrFeMnNi alloys. Model. Simul. Mater. Sci. Eng. 28 (2020) 075006

Ostapovec A., Serra A.: Review of Non-Classical Features of Deformation Twinning in hcp Metals and Their Description by Disconnection Mechanisms . Metals 10 (2020) 1134-1154

Fikar J., Schäublin R.: Stability of small vacancy clusters in tungsten by molecular dynamics. Nucl. Instr. Meth. Phys. Res. B 464 (2020) 56-59

Šťastný P., Vacek P., Trunec M.: Characterization of microstructure and phase distribution of sintered multiphasic calcium phosphate bioceramics. Ceram. Int. 46 (2020) 5500-5504

Antoš Z., Vacek P., Gröger R.: Intersections of two stacking faults in zincblende GaN. Comp. Mater. Sci. 180 (2020) 109620


Gröger R., Vítek V.: Impact of non-Schmid stress components present in the yield criterion for bcc metals on the activity of {110}<111> slip systems. Comp. Mater. Sci. 159 (2019) 297-305

Ostapovec A., Serra A., Pond R.: Non-diffusional growth mechanism of I1 basal stacking-faults inside twins in hcp metals. Scr. Mater. 172 (2019) 149-153

Gröger R., Chlup Z., Sojková T., Kuběna I.: Interplay of slip and twinning in niobium single crystals compressed at 77 K. J. Mater. Res. 34 (2019) 261-270

Lee L., Frentrup M., Vacek P., Massabuau F., Kappers M., Wallis D., Oliver R.: Investigation of MOVPE-grown zincblende GaN nucleation layers on 3CSiC/ Si substrates. J. Cryst. Growth 524 (2019) 125167

Heczko M., Esser B., Gröger R., Feng L., Mazánová V., Wang Y., Mills M.: Structure, Morphology and Coarsening Behavior of MX (NbC) Nanoprecipitates in Fe-Ni-Cr Based Alloys. Microscopy and Microanalysis 25 (2019) 2612-2613

Lee L., Frentrup M., Vacek P., Kappers M., Wallis D., Oliver R.: Investigation of stacking faults in MOVPE-grown zincblende GaN by XRD and TEM. J. Appl. Phys. 125 (2019) 105303

Friák M., Buršíková V., Pizúrová N., Pavlů J., Jirásková Y., Homola V., Miháliková I., Slávik A., Holec D., Všianská M., Koutná N., Fikar J., Janičkovič D., Šob M., Neugebauer J.: Elasticity of Phases in Fe-Al-Ti Superalloys: Impact of Atomic Order and Anti-Phase Boundaries. Crystals 9 (2019) 299

Tinoco Navarro H., Holzer J., Pikálek T., Buchta Z., Lazar J., Chlupová A., Kruml T., Hutař P.: Determination of elastic parameters of Si3N4 thin films by means of a numerical approach and bulge tests. Thin Solid Films 672 (2019) 66-74

Vacek P., Kostelník P., Gröger R.: Correlation of Structure and EBIC Contrast from Threading Dislocations in AlN/Si Films. Phys. Stat. Sol. B 256 (2019) 1900279

Que Z., Seifert H., Spätig P., Zhang A., Holzer J., Rao G., Ritter S.: Degradation Effects of Hydrogen and High-Temperature Water Environment on the Fracture Resistance of Low-Alloy RPV Steels. The Minerals, Metals & Materials Series (2019) 934-948

Ostapovec A., Gornakova A.: On faceting of {10 -11} and {10-12} twin boundaries in hcp metals. Mater. Lett. 247 (2019) 99-101

Que Z., Seifert H., Spätig P., Zhang A., Holzer J., Rao G., Ritter S.: Effect of dynamic strain ageing on environmental degradation of fracture resistance of low-alloy RPV steels in high-temperature water environments. Corros. Sci. 152 (2019) 172-189

Brož P., Zelenka F., Sopoušek J., Hejduková M., Sojková T., Zobač O.: Thermal analysis and Knudsen effusion mass spectrometry combined in a specially-adapted commercial skimmer coupled instrument (Netzsch). CALPHAD 65 (2019) 86-92

Que Z., Seifert H., Spätig P., Holzer J., Zhang A., Rao G., Ritter S.: Environmental degradation of fracture resistance in high-temperature water environments of low-alloy reactor pressure vessel steels with high sulphur or phosphorus contents. Corros. Sci. 154 (2019) 191-207


Paidar V., Ostapovec A., Káňa T.: Dislocation Content of Non-Classical Twin Boundaries in Hexagonal Metals . Acta Phys. Pol. A 134 (2018) 692-694

Gröger R., Chlup Z., Kuběna I., Kruml T.: Slip activity in molybdenum single crystals compressed at 77 K. Philos. Mag. 98 (2018) 2749-2768

Fikar J., Schäublin R., Mason D., Nguyen-Manh D.: Nano-sized prismatic vacancy dislocation loops and vacancy clusters in tungsten. Nucl. Mater. Energy 16 (2018) 60-65

Čížek J., Brožek V., Chráska T., Lukáč F., Medřický J., Mušálek R., Tesař T., Šiška F., Antoš Z., Čupera J., Matějková M., Špotz Z., Houdková S., Kverka M.: Silver-Doped Hydroxyapatite Coatings Deposited by Suspension Plasma Spraying . J. Thermal Spray Technol. 27 (2018) 1333-1343

Gröger R., Chlup Z., Sojková T.: Deformation twinning in vanadium single crystals tested in compression at 77 K. Mater. Sci. Eng. A 737 (2018) 413-421

Ostapovec A., Vatazhuk O.: Non-Schmid behavior of extended dislocations in computer simulations of magnesium. Comp. Mater. Sci. 142 (2018) 261-267

K. K., Ostapovec A.: Variability of Twin Boundary Structure in Computer Simulations of Tensile Twins in Magnesium. Defect Diffus. Forum 385 (2018) 241-244

Ostapovec A., Sheikh-Ali A.: Misorientation dependence of atomic structure and energy of symmetric tilt boundaries in magnesium. Philos. Mag. 98 (2018) 3235-3246

Ostapovec A., Čapek J., Paidar V.: Secondary twinning in zinc. Philos. Mag. Lett. 98 (2018) 437-445

Sun Q., Ostapovec A., Zhang X., Tan L., Liu Q.: Investigation of twin-twin interaction in deformed magnesium alloy. Philos. Mag. 98 (2018) 741-751

Ostapovec A., Paidar V.: Some aspects of double twinning in hexagonal metals. Low Temp. Phys. 44 (2018) 1241-1244

Káňa T., Ostapovec A., Paidar V.: The matrix-twin transition in a perfect Mg crystal: Ab initio study. Int. J. Plast. 108 (2018) 186-200


Fikar J., Gröger R., Schäublin R.: Effect of orientation of prismatic dislocation loops on interaction with free surfaces in BCC iron. J. Nucl. Mater. 497 (2017) 161-165

Ostapovec A., Vatazhuk O.: Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium. Low Temp. Phys. 43 (2017) 421-427

Hernandez-Maldonado D., Gröger R., Ramasse Q., Hirsch P., Nellist P.: Evaluation of aberration-corrected optical sectioning for exploring the core structure of 1/2[111] screw dislocations in BCC metals. Microscopy and Microanalysis 23 (2017) 432-433

Paidar V., Ostapovec A.: The balance between the energies of the symmetric (10-12) twin boundaries and asymmetric basal/prismatic interfaces in hcp metals. Mater. Lett. 198 (2017) 93-96

Fikar J., Gröger R., Schäublin R.: Interaction of irradiation-induced prismatic dislocation loops with free surfaces in tungsten. Nucl. Instr. Meth. Phys. Res. B 393 (2017) 186-189

Ostapovec A., Buršík J., Krahula K., Král L., Serra A.: On the relationship between (1 1 -2 2) and (1 1 -2 6) conjugate twins and double extension twins in rolled pure Mg. Philos. Mag. 97 (2017) 1088-1101

Ostapovec A., Serra A.: Slip dislocation and twin nucleation mechanisms in hcp metals. J. Mater. Sci. 52 (2017) 533-540

Holzer J., Pikálek T., Buchta Z., Lazar J., Tinoco Navarro H., Chlupová A., Kruml T.: DEVELOPMENT OF THE BULGE TEST EQUIPMENT FOR MEASURING MECHANICAL PROPERTIES OF THIN FILMS. METAL 2017 Conf. Proc 26 (2017) 1053-1058

Gröger R., Vítek V., Lookman T.: Mesoscale plastic texture in body-centered cubic metals under uniaxial load. Phys. Rev. Mater. 1 (2017) 063601


Hernandez-Maldonado D., Yang H., Jones L., Gröger R., Hirsch P., Ramasse Q., Nellist P.: STEM optical sectioning for imaging screw dislocations core structures in BCC metals. Microscopy and Microanalysis 22 (2016) 1932-1933

Fikar J., Gröger R.: Shape of small prismatic dislocation loops in tungsten and iron. Solid State Phenom. 258 (2016) 97-101

Gröger R., Lookman T.: Mesoscopic description of dislocation patterning using the concept of incompatibility of strains. Solid State Phenom. 258 (2016) 87-92

Gröger R., Marchand B., Lookman T.: Dislocations via incompatibilities in phase-field models of microstructure evolution. Phys. Rev. B 94 (2016) 054105


Ostapovec A., Serra A.: Evolution of Matrix-Twin Interfaces of (1 0 -1 2) Twin in Magnesium. Acta Phys. Pol. A 128 (2015) 661-663

Fikar J., Gröger R.: Interactions of prismatic dislocation loops with free surfaces in thin foils of body-centered cubic iron. Acta Mater. 99 (2015) 392-401

Gröger R., Leconte L., Ostapovec A.: Structure and stability of threading edge and screw dislocations in bulk GaN. Comp. Mater. Sci. 99 (2015) 195-202

Ostapovec A., Buršík J., Gröger R.: Deformation due to migration of faceted twin boundaries in magnesium and cobalt. Philos. Mag. 95 (2015) 4106-4117

Gröger R., Vítek V.: Determination of positions and curved transition pathways of screw dislocations in BCC crystals from atomic displacements. Mater. Sci. Eng. A 643 (2015) 203-210


Ostapovec A., Molnár P., Gröger R.: On basal-prismatic twinning interfaces in magnesium. IOP Conf. Ser.: Mater. Sci. Eng. 63 (2014) 012134

Ostapovec A., Gröger R.: Twinning disconnections and basal-prismatic twin boundary in magnesium. Model. Simul. Mater. Sci. Eng. 22 (2014) 025015

Ostapovec A., Molnár P., Lejček P.: Boundary plane distribution for 13 grain boundaries in magnesium. Mater. Lett. 137 (2014) 102-105

Ostapovec A., Serra A.: Characterization of the matrix-twin interface of a (1012) twin during growth. Philos. Mag. 94 (2014) 2827-2839

Gröger R.: Which stresses affect the glide of screw dislocations in bcc metals?. Philos. Mag. 94 (2014) 2021-2030

Molnár P., Ostapovec A., Jäger A.: Reversible motion of twin boundaries in AZ31 alloy and new design of magnesium alloys as smart materials. Mater. & Design 56 (2014) 509-516

Gröger R.: Thermodynamics of dislocation pattern formation at the mesoscale. Key Eng. Mater. 592-593 (2014) 79-82


Srivastava K., Gröger R., Weygand D., Gumbsch P.: Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations. Int. J. Plast. 47 (2013) 126-142

Gröger R., Vítek V.: Stress dependence of the Peierls barrier of 1/2<111> screw dislocations in bcc metals. Acta Mater. 61 (2013) 6362-6371


Gröger R., Vítek V.: Constrained Nudged Elastic Band calculation of the Peierls barrier with atomic relaxations. Model. Simul. Mater. Sci. Eng. 20 (2012) 035019


Gröger R., Dudeck K., Nellist P., Vítek V., Hirsch P., Cockayne D.: Effect of Eshelby twist on core structure of screw dislocations in molybdenum: Atomic structure and electron microscope image simulations. Philos. Mag. 91 (2011) 2364

Gröger R., Lookman T.: Influence of dislocations on the spatial variation of microstructure in martensites. Key Eng. Mater. 465 (2011) 77-80


Gröger R., Lookman T., Saxena A.: Incompatibility of strains and its application to mesoscopic studies of plasticity. Phys. Rev. B 82 (2010) 144104


Gröger R., Vítek V.: Directional versus central-force bonding in studies of the structure and glide of 1/2<111> screw dislocations in bcc transition metals. Philos. Mag. 89 (2009) 3163-3178

Gröger R., Vítek V.: Temperature and strain rate dependent flow criterion for bcc transition metals based on atomistic analysis of dislocation glide. Int. J. Mater. Res. 100 (2009) 315-321

Gröger R., Lookman T., Saxena A.: Atomistic studies of transformation pathways and energetics in plutonium. Philos. Mag. 89 (2009) 1779-1792


Gröger R., Racherla V., Bassani J., Vítek V.: Multiscale modeling of plastic deformation of molybdenum and tungsten: II. Yield criterion for single crystals based on atomistic studies of glide of 1/2<111> screw dislocations. Acta Mater. 56 (2008) 5412-5425

Gröger R., Bailey A., Vítek V.: Multiscale modeling of plastic deformation of molybdenum and tungsten: I. Atomistic studies of the core structure and glide of 1/2<111> screw dislocations at 0 K. Acta Mater. 56 (2008) 5401-5411

Gröger R., Vítek V.: Multiscale modeling of plastic deformation of molybdenum and tungsten: III. Effects of temperature and plastic strain rate. Acta Mater. 56 (2008) 5426-5439

Gröger R., Lookman T., Saxena A.: Defect-induced incompatibility of elastic strains: Dislocations within the Landau theory of martensitic phase transformations. Phys. Rev. B 78 (2008) 184101


Gröger R., Vítek V.: Explanation of the discrepancy between the theoretical and measured yield stresses in body-centered cubic metals. Philos. Mag. Lett. 87 (2007) 113-120

Mrověc M., Gröger R., Bailey A., Nguyen-Manh D., Elsässer C., Vítek V.: Bond-order potential for simulations of extended defects in tungsten. Phys. Rev. B 75 (2007) 104119


Nguyen-Manh D., Cawkwell M., Gröger R., Mrověc M., Pořízek R., Pettifor D., Vítek V.: Dislocations in materials with mixed covalent and metallic bonding. Mater. Sci. Eng. A 400-401 (2005) 68-71

Gröger R., Vítek V.: Breakdown of the Schmid law in bcc molybdenum related to the effect of shear stress perpendicular to the slip direction. Mater. Sci. Forum 482 (2005) 123-126


Vítek V., Mrověc M., Gröger R., Bassani J., Racherla V., Yin L.: Effects of non-glide stresses on the plastic flow of single and polycrystals of molybdenum. Mater. Sci. Eng. A 387-389 (2004) 138-142